MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02901299

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)N(C)c1ccc(O)cc1

InChI:

InChI=1/C18H15ClN2O3/c1-11-16(17(20-24-11)14-5-3-4-6-15(14)19)18(23)21(2)12-7-9-13(22)10-8-12/h3-10,22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.548 kcal/mol

Physical Properties
Molecular Weight: 342.782 g/mol	logS: -4.97614	SlogP: 4.28562	Reactive groups: 0

Topological Properties
Globularity: 0.134106	Sterimol/B1: 2.29931	Sterimol/B2: 2.85672	Sterimol/B3: 4.8192
Sterimol/B4: 9.92765	Sterimol/L: 13.7409

Surface and Volume Properties
Accessible surface: 555.359	Positive charged surface: 279.246	Negative charged surface: 276.113	Volume: 311.5
Hydrophobic surface: 463.871	Hydrophilic surface: 91.488

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.